2-(1,3-benzoxazol-2-ylsulfanylmethyl)-N-[(4-sulfamoylphenyl)methyl]benzamide

Systemtic Name: 2-(1,3-benzoxazol-2-ylsulfanylmethyl)-N-[(4-sulfamoylphenyl)methyl]benzamide Openeye Name: 2-(1,3-benzoxazol-2-ylsulfanylmethyl)-N-[(4-sulfamoylphenyl)methyl]benzamide CAS Name: 2-[(1,3-benzoxazol-2-ylthio)methyl]-N-[(4-sulfamoylphenyl)methyl]benzamide IUPAC Name: 2-(1,3-benzoxazol-2-ylsulfanylmethyl)-N-[(4-sulfamoylphenyl)methyl]benzamide Traditional Name: 2-[(1,3-benzoxazol-2-ylthio)methyl]-N-(4-sulfamoylbenzyl)benzamide Formula: C22H19N3O4S2 MolecularWeight: 453.53396

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CSC2=NC3=CC=CC=C3O2)C(=O)NCC4=CC=C(C=C4)S(=O)(=O)N

Isomeric SMILES

C1=CC=C(C(=C1)CSC2=NC3=CC=CC=C3O2)C(=O)NCC4=CC=C(C=C4)S(=O)(=O)N

InChI

InChI=1S/C22H19N3O4S2/c23-31(27,28)17-11-9-15(10-12-17)13-24-21(26)18-6-2-1-5-16(18)14-30-22-25-19-7-3-4-8-20(19)29-22/h1-12H,13-14H2,(H,24,26)(H2,23,27,28)